2-(3-fluoroanilino)pyridine-3-carboxylic acid

C12H9FN2O2 — CID 1432603

IUPAC2-(3-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-4-9(7-8)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyHCEHASQDYHUQAD-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-fluoroanilino)pyridine-3-carboxylic acid

2-(3-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 1432603) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(3-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID1432603
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(3-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-4-9(7-8)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyHCEHASQDYHUQAD-UHFFFAOYSA-N
XLogP2.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoroanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-fluoroanilino)pyridine-3-carboxylic acid (CID 1432603) is 2-(3-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is HCEHASQDYHUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-3-1-4-9(7-8)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 2-(3-fluoroanilino)pyridine-3-carboxylic acid?
2-(3-fluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 1432603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).